3-(cyclopropanecarbonylamino)-N-(6-methylheptan-2-yl)benzamide

C19H28N2O2 — CID 51158620

IUPAC3-(cyclopropanecarbonylamino)-N-(6-methylheptan-2-yl)benzamide
SMILESCC(C)CCCC(C)NC(=O)c1cccc(NC(=O)C2CC2)c1
InChIInChI=1S/C19H28N2O2/c1-13(2)6-4-7-14(3)20-19(23)16-8-5-9-17(12-16)21-18(22)15-10-11-15/h5,8-9,12-15H,4,6-7,10-11H2,1-3H3,(H,20,23)(H,21,22)
InChIKeyANDLUYFUIRHRSG-UHFFFAOYSA-N
MW316.44 g/mol
LogP3.98
Rot. Bonds8

About 3-(cyclopropanecarbonylamino)-N-(6-methylheptan-2-yl)benzamide

3-(cyclopropanecarbonylamino)-N-(6-methylheptan-2-yl)benzamide (PubChem CID 51158620) has the molecular formula C19H28N2O2 and a molecular weight of 316.44 g/mol. Its IUPAC name is 3-(cyclopropanecarbonylamino)-N-(6-methylheptan-2-yl)benzamide.

Molecular Properties

Compound Name3-(cyclopropanecarbonylamino)-N-(6-methylheptan-2-yl)benzamide
PubChem CID51158620
Molecular FormulaC19H28N2O2
Molecular Weight316.44 g/mol
Exact Mass316.22
IUPAC Name3-(cyclopropanecarbonylamino)-N-(6-methylheptan-2-yl)benzamide
SMILESCC(C)CCCC(C)NC(=O)c1cccc(NC(=O)C2CC2)c1
InChIInChI=1S/C19H28N2O2/c1-13(2)6-4-7-14(3)20-19(23)16-8-5-9-17(12-16)21-18(22)15-10-11-15/h5,8-9,12-15H,4,6-7,10-11H2,1-3H3,(H,20,23)(H,21,22)
InChIKeyANDLUYFUIRHRSG-UHFFFAOYSA-N
XLogP3.98
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(cyclopropanecarbonylamino)-N-propan-2-ylbenzamide
CID 17197396
N-[(2S)-butan-2-yl]-3-(cyclohexanecarbonylamino)benzamide
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3-(cyclohexanecarbonylamino)-N-(1-hydroxypropan-2-yl)benzamide
CID 78866259
3-(cyclopropanecarbonylamino)-N-(2-methylpropyl)benzamide
CID 40603945
1-N,4-N-bis[3-(methylcarbamoyl)phenyl]cyclohexane-1,4-dicarboxamide
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N-[3-(5-methylhexan-2-ylamino)phenyl]cyclopropanecarboxamide
CID 43201742
3-(cyclopropanecarbonylamino)-N-(3-hydroxy-4-methylpentyl)benzamide
CID 111460763
N-[1-(1-adamantyl)ethyl]-3-(cyclopropanecarbonylamino)benzamide
CID 46557695
3-(cyclopropanecarbonylamino)-N-prop-2-ynylbenzamide
CID 30600577
N-(1-amino-4-methylpentan-2-yl)-3-(cyclohexanecarbonylamino)benzamide;hydrochloride
CID 119588133
N-[3-[[[amino-(6-methylheptan-2-ylamino)methylidene]amino]methyl]phenyl]cyclobutanecarboxamide;hydroiodide
CID 111046840
1-N,4-N-bis[3-(tert-butylcarbamoyl)phenyl]cyclohexane-1,4-dicarboxamide
CID 28639774

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropanecarbonylamino)-N-(6-methylheptan-2-yl)benzamide?
The IUPAC name of 3-(cyclopropanecarbonylamino)-N-(6-methylheptan-2-yl)benzamide (CID 51158620) is 3-(cyclopropanecarbonylamino)-N-(6-methylheptan-2-yl)benzamide.
What is the SMILES notation for 3-(cyclopropanecarbonylamino)-N-(6-methylheptan-2-yl)benzamide?
The canonical SMILES for 3-(cyclopropanecarbonylamino)-N-(6-methylheptan-2-yl)benzamide is CC(C)CCCC(C)NC(=O)c1cccc(NC(=O)C2CC2)c1.
What is the InChIKey of 3-(cyclopropanecarbonylamino)-N-(6-methylheptan-2-yl)benzamide?
The InChIKey is ANDLUYFUIRHRSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2/c1-13(2)6-4-7-14(3)20-19(23)16-8-5-9-17(12-16)21-18(22)15-10-11-15/h5,8-9,12-15H,4,6-7,10-11H2,1-3H3,(H,20,23)(H,21,22).
What are the key properties of 3-(cyclopropanecarbonylamino)-N-(6-methylheptan-2-yl)benzamide?
3-(cyclopropanecarbonylamino)-N-(6-methylheptan-2-yl)benzamide has a molecular weight of 316.44 g/mol, XLogP of 3.98, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropanecarbonylamino)-N-(6-methylheptan-2-yl)benzamide is sourced from PubChem (CID 51158620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).